2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one

C9H16N4O — CID 135493668

IUPAC2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-5(2)3-4-6-7(10)12-9(11)13-8(6)14/h5H,3-4H2,1-2H3,(H5,10,11,12,13,14)
InChIKeyNXNZQDMDARVZET-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds3

About 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one

2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 135493668) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID135493668
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-5(2)3-4-6-7(10)12-9(11)13-8(6)14/h5H,3-4H2,1-2H3,(H5,10,11,12,13,14)
InChIKeyNXNZQDMDARVZET-UHFFFAOYSA-N
XLogP0.52
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diamino-5-[3-(dimethylamino)propyl]-1H-pyrimidin-6-one
CID 170867331
2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
2,4-diamino-5-(3-methylbut-2-enyl)-1H-pyrimidin-6-one
CID 135420445
2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
CID 135491160
2-(3-methylbutyl)-7H-purine-6,8-diamine
CID 174749238
ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
CID 118369795
4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
CID 137286206
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135418958
2-[[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid
CID 135547367
ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propylsulfanyl]benzoate
CID 135976864
5-(3,7-dimethyloctyl)pyrimidine-2,4,6-triamine
CID 23524567

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one (CID 135493668) is 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one is CC(C)CCc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is NXNZQDMDARVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5(2)3-4-6-7(10)12-9(11)13-8(6)14/h5H,3-4H2,1-2H3,(H5,10,11,12,13,14).
What are the key properties of 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one?
2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135493668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).